4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one

C25H23N7O — CID 166054981

IUPAC4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one
SMILESCc1cccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(NC4CNC(=O)C4)nc3)c12
InChIInChI=1S/C25H23N7O/c1-15-5-3-7-19-24(18-6-4-8-21-20(18)14-31(2)29-21)30-32(25(15)19)17-9-10-22(26-13-17)28-16-11-23(33)27-12-16/h3-10,13-14,16H,11-12H2,1-2H3,(H,26,28)(H,27,33)
InChIKeyBNWIMOXUGRFOSV-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.58
Rot. Bonds4

About 4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one

4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one (PubChem CID 166054981) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one
PubChem CID166054981
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one
SMILESCc1cccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(NC4CNC(=O)C4)nc3)c12
InChIInChI=1S/C25H23N7O/c1-15-5-3-7-19-24(18-6-4-8-21-20(18)14-31(2)29-21)30-32(25(15)19)17-9-10-22(26-13-17)28-16-11-23(33)27-12-16/h3-10,13-14,16H,11-12H2,1-2H3,(H,26,28)(H,27,33)
InChIKeyBNWIMOXUGRFOSV-UHFFFAOYSA-N
XLogP3.58
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one (CID 166054981) is 4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one is Cc1cccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(NC4CNC(=O)C4)nc3)c12.
What is the InChIKey of 4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one?
The InChIKey is BNWIMOXUGRFOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-15-5-3-7-19-24(18-6-4-8-21-20(18)14-31(2)29-21)30-32(25(15)19)17-9-10-22(26-13-17)28-16-11-23(33)27-12-16/h3-10,13-14,16H,11-12H2,1-2H3,(H,26,28)(H,27,33).
What are the key properties of 4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one?
4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one has a molecular weight of 437.51 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 166054981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).